Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVPRFRKQWFAYLTVLCLALAAAVSFGVPAKAAENPQTSVSNTGKEADATKNQTSKADQVSAPYEGTGKTSKSLYGGQTELEKNIQTLQPSSIIGTDERTRISSTTSFPYRATVQLSIKYPNTSSTYGCTGFLVNPNTVVTAGHCVYSQDHGWASTITAAP-GRNGSSYPYGTYSGTMFYSVKGWTESKDTNYDYGAIKLNGSPGNT-VGWYGYRTT---NSSSPVGLSSSVTGFPCDKTFGTMWSDTKPIRSAETYKLTYTTDTYGCQSGSPVYRNYSDTGQTAIAIHTNGGSSYNLGTRVTNDVFNNIQYWANQ 4JCN Chain:A ((68-253)) ----------------------------------------------------------------------------------------------ILPNNNRHQIFNTTQGHYDAVSFIYI--PIDGGYMSGSGVVVGENEILTNKHVVNGAK-GNPRNISVHPSAKNENDYPNGKFVGQEIIPYPG-------NSDLAILRVSPNEHNQHIGQVVKPATISSNTDTRINENITVTGYPGDKPLATMWESVGKVVYIGGEELRYDLSTVGGNSGSPVF----NGKNQVIGIHYGG------------------------

General information: TITO was launched using: RESULT: Template: 4JCN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1055 -57150 -54.17 -315.74 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -54.17 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_4JCN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JCN-query.scw PDB file : Tito_Scwrl_4JCN.pdb: